1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol

C19H23N5O2 — CID 125164212

IUPAC1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol
SMILESOC1CN(c2nc([C@H]3CCOC3)cc(N3CC(c4ccccn4)C3)n2)C1
InChIInChI=1S/C19H23N5O2/c25-15-10-24(11-15)19-21-17(13-4-6-26-12-13)7-18(22-19)23-8-14(9-23)16-3-1-2-5-20-16/h1-3,5,7,13-15,25H,4,6,8-12H2/t13-/m0/s1
InChIKeyZJMTYQCQTMMRCM-ZDUSSCGKSA-N
MW353.43 g/mol
LogP1.16
Rot. Bonds4

About 1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol

1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol (PubChem CID 125164212) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol
PubChem CID125164212
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol
SMILESOC1CN(c2nc([C@H]3CCOC3)cc(N3CC(c4ccccn4)C3)n2)C1
InChIInChI=1S/C19H23N5O2/c25-15-10-24(11-15)19-21-17(13-4-6-26-12-13)7-18(22-19)23-8-14(9-23)16-3-1-2-5-20-16/h1-3,5,7,13-15,25H,4,6,8-12H2/t13-/m0/s1
InChIKeyZJMTYQCQTMMRCM-ZDUSSCGKSA-N
XLogP1.16
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol?
The IUPAC name of 1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol (CID 125164212) is 1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol.
What is the SMILES notation for 1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol?
The canonical SMILES for 1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol is OC1CN(c2nc([C@H]3CCOC3)cc(N3CC(c4ccccn4)C3)n2)C1.
What is the InChIKey of 1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol?
The InChIKey is ZJMTYQCQTMMRCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-15-10-24(11-15)19-21-17(13-4-6-26-12-13)7-18(22-19)23-8-14(9-23)16-3-1-2-5-20-16/h1-3,5,7,13-15,25H,4,6,8-12H2/t13-/m0/s1.
What are the key properties of 1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol?
1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol has a molecular weight of 353.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-oxolan-3-yl]-6-(3-pyridin-2-ylazetidin-1-yl)pyrimidin-2-yl]azetidin-3-ol is sourced from PubChem (CID 125164212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).